ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate

C12H18N4O3S — CID 43445563

IUPACethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18N4O3S/c1-2-19-10(17)9-14-11(18)15-4-6-16(7-5-15)12-13-3-8-20-12/h3,8H,2,4-7,9H2,1H3,(H,14,18)
InChIKeyFJJAHRWFIQGFQF-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.54
Rot. Bonds4

About ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate

ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate (PubChem CID 43445563) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
PubChem CID43445563
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Nameethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18N4O3S/c1-2-19-10(17)9-14-11(18)15-4-6-16(7-5-15)12-13-3-8-20-12/h3,8H,2,4-7,9H2,1H3,(H,14,18)
InChIKeyFJJAHRWFIQGFQF-UHFFFAOYSA-N
XLogP0.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
ethyl 4,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]thiophene-3-carboxylate
CID 31977270
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
ethyl 4-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetyl]amino]butanoate
CID 86915626
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 18138965
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084713
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75519126
4,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
(2S)-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]pentanoic acid
CID 107565977
N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 43468985

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate (CID 43445563) is ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate?
The InChIKey is FJJAHRWFIQGFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-2-19-10(17)9-14-11(18)15-4-6-16(7-5-15)12-13-3-8-20-12/h3,8H,2,4-7,9H2,1H3,(H,14,18).
What are the key properties of ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate?
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate has a molecular weight of 298.37 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate is sourced from PubChem (CID 43445563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).